CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(Br)c1)N2
SMILES: CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(Br)c1)N2

Molecular Processing

Molecular formula
C20H22BrNO2
Molecular weight
388.3
Exact mass
387.0834
XLogP
5.36
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.39

Supplementary Information

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